Vitas-M small molecule compound
(8xi,9xi,14xi,16alpha,17xi,20E)-16-hydroxy-20-(hydroxyimino)-17-methoxypregn-5-en-3-yl benzoate
Catalog ID
STL526519
SMILES O/N=C(/C1(OC)[C@H](O)CC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)c1ccccc1)\C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C29H39NO5 MW 481.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H39NO5/c1-18(30-33)29(34-4)25(31)17-24-22-11-10-20-16-21(35-26(32)19-8-6-5-7-9-19)12-14-27(20,2)23(22)13-15-28(24,29)3/h5-10,21-25,31,33H,11-17H2,1-4H3/b30-18+/t21?,22?,23?,24?,25-,27+,28+,29?/m1/s1InChIKey
GXDRQKRSEWVQDF-GFOKWGPXSA-NSynonyms
((10~(R)13~(S)16~(R))16hydroxy17((~(E))~(N)hydroxy~(C)methylcarbonimidoyl)17methoxy1013dimethyl12347891112141516dodecahydrocyclopenta(a)phenanthren3yl)benzoate
(3S8R9S10R13S14S16R)16hydroxy17((E)1(hydroxyimino)ethyl)17methoxy1013dimethyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3ylbenzoate
(8xi9xi14xi16alpha17xi20E)16hydroxy20(hydroxyimino)17methoxypregn5en3ylbenzoate
44667312
InChI=1SC29H39NO5c118(3033)29(344)25(31)1724221110201621(3526(32)198657919)121427(202)23(22)131528(2429)3h51021253133H1117H214H3b3018+t21?22?23?24?2527+28+29?m1s1
MFCD02925987
ON=C(C1(OC)(C@H)(O)C(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CC=C2(C@)1(C)CC(C@@H)(C2)OC(=O)c1ccccc1)C
ZINC000017044361
ZINC000253501640
Check stock
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Check stock on Vitas-MAvailable files
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